Base information
| Cat. No. | |
| CAS No. | 68852-84-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21ClO12+ |
| Molecular Weight | 500.837 |
| Exact Mass | 500.072 |
| XLogP3 | -0.0987 |
| Mr | 113.892 |
| PSA | 209.76 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 58 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@](Cl)(O[C+]2=C(Oc3c(C2)c(O)cc(c3)O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O |
